ChemSpider 2D Image | 1,2,3-Triazolidin-4-yl(8-{[4-(trifluoromethoxy)phenyl]sulfonyl}-3,8-diazabicyclo[3.2.1]oct-3-yl)methanone | C16H20F3N5O4S

1,2,3-Triazolidin-4-yl(8-{[4-(trifluoromethoxy)phenyl]sulfonyl}-3,8-diazabicyclo[3.2.1]oct-3-yl)methanone

  • Molecular FormulaC16H20F3N5O4S
  • Average mass435.421 Da
  • Monoisotopic mass435.118805 Da
  • ChemSpider ID129037000

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2,3-Triazolidin-4-yl(8-{[4-(trifluormethoxy)phenyl]sulfonyl}-3,8-diazabicyclo[3.2.1]oct-3-yl)methanon [German] [ACD/IUPAC Name]
1,2,3-Triazolidin-4-yl(8-{[4-(trifluoromethoxy)phenyl]sulfonyl}-3,8-diazabicyclo[3.2.1]oct-3-yl)methanone [ACD/IUPAC Name]
1,2,3-Triazolidin-4-yl(8-{[4-(trifluorométhoxy)phényl]sulfonyl}-3,8-diazabicyclo[3.2.1]oct-3-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, 1,2,3-triazolidin-4-yl[8-[[4-(trifluoromethoxy)phenyl]sulfonyl]-3,8-diazabicyclo[3.2.1]oct-3-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 567.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.3±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): -1.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.19
Polar Surface Area: 111 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 296.8±3.0 cm3

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